eval_sample.py looking for a model file that doesn't exist
Dunni3 opened this issue · comments
Hi, I ran into a minor issue when trying to sample molecules from the trained edm_qm9
model. In brief, I think the file outputs/edm_qm9/flow_ema.npy
might be a misnamed or be a misplaced file, or a file leftover from a time when your code used a different naming convention for output files. I'll explain in more detail below:
I ran the the following command (taken from README.md
) for sampling molecules:
python eval_sample.py --model_path outputs/edm_qm9 --n_samples 1
Note that I am trying to sample molecules with one of the trained models provided in this repository.
This results in the following missing file exception:
Exception has occurred: FileNotFoundError
[Errno 2] No such file or directory: 'outputs/edm_qm9/generative_model_ema.npy'
File ".../e3_diffusion_for_molecules/eval_sample.py", line 137, in main
flow_state_dict = torch.load(join(eval_args.model_path, fn),
File "...e3_diffusion_for_molecules/eval_sample.py", line 164, in <module>
main()
It seems that the arguments contained in args.pickle
are causing the function eval_sample.main
to look for a file in the repository: outputs/edm_qm9/generative_model_ema.npy
When I train a diffusion model myself on the qm9 dataset, using the command given in the readme, the training code produces a file named generative_model_ema.npy
, and I am able to run eval_sample.py
successfully when pointing it to the args/model file for the model I trained.
There seems to be a model file in the repository outputs/edm_qm9/flow_ema.npy
. Is this file perhaps misnamed? or from another experiment?. I thought maybe this file needs to be changed.
If I'm correct, I figured this might be an important update to make.
PS: Congrats on putting out this awesome work and thank you for making it so accessible!
Hi, good catch thank you for pointing that out. As you suspected, the "flow_ema.npy" should indeed be named "generative_model_ema.npy". I updated the repository :)